N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-2-methylsulfonyl-benzamide

Systemtic Name: N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-2-methylsulfonyl-benzamide Openeye Name: N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-2-methylsulfonyl-benzamide CAS Name: N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-2-methylsulfonylbenzamide IUPAC Name: N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-2-methylsulfonylbenzamide Traditional Name: 2-mesyl-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N(C(=NC(=O)C3=CC=CC=C3S(=O)(=O)C)S2)CCOC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N(C(=NC(=O)C3=CC=CC=C3S(=O)(=O)C)S2)CCOC)C

InChI

InChI=1S/C20H22N2O4S2/c1-13-11-14(2)18-16(12-13)22(9-10-26-3)20(27-18)21-19(23)15-7-5-6-8-17(15)28(4,24)25/h5-8,11-12H,9-10H2,1-4H3